Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18599844 | 0.86 | NR1H2 (0.48) | NR1H2NR1H3DYRK1ACLK4BRD9 | |
| SCHEMBL14725975 | 0.85 | NR1H2 (0.47) | NR1H2NR1H3DYRK1ACLK4BRD9 | |
| SCHEMBL14725977 | 0.77 | PIK3CA (0.52) | CLK4ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL18599848 | 0.76 | CRHR1 (0.42) | NR1H2NR1H3DYRK1ACLK4BRD9 | |
| SCHEMBL18343119 | 0.69 | CYP1A2 (0.55) | DYRK1ACLK4MAPTSMN1; SMN2RAB9A | |
| SCHEMBL27807278 | 0.68 | DYRK1A (0.69) | NR1H2NR1H3DYRK1ACLK4MAPT | |
| SCHEMBL9104238 | 0.68 | DYRK1A (0.47) | NR1H2NR1H3DYRK1ACLK4MAPT | |
| SCHEMBL11781393 | 0.68 | MEN1 (0.52) | NR1H2NR1H3DYRK1ACLK4ALDH1A1 | |
| SCHEMBL9105777 | 0.68 | AHR (0.59) | NR1H2NR1H3DYRK1ACLK4MAPT | |
| SCHEMBL30393103 | 0.68 | CYP1A2 (0.53) | NR1H2NR1H3DYRK1ACLK4MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9073927-B2 | Inhibitors of PI3 kinase | FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) | 2015-07-07 | — | — | US | disclosed |
| US-9073927-B2 | Inhibitors of PI3 kinase | FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) | 2015-07-07 | — | — | US | disclosed |
| US-20130053371-A1 | INHIBITORS OF PI3 KINASE | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2013-02-28 | — | — | US | disclosed |
| US-20130053371-A1 | INHIBITORS OF PI3 KINASE | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2013-02-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130053371-A1 | INHIBITORS OF PI3 KINASE | PIK3CA, MTOR, PIK3C2A | NR1H2 2181/4885NR1H3 1685/4885DYRK1A 1435/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.